CID 522674

Thiophene-2-thiol

Structural Information

Molecular Formula
C4H4S2
SMILES
C1=CSC(=C1)S
InChI
InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H
InChIKey
SWEDAZLCYJDAGW-UHFFFAOYSA-N
Compound name
thiophene-2-thiol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

4757
Patents

115.97544 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.98272 117.0
[M+Na]+ 138.96466 127.5
[M-H]- 114.96816 121.6
[M+NH4]+ 134.00926 142.4
[M+K]+ 154.93860 125.1
[M+H-H2O]+ 98.972700 112.7
[M+HCOO]- 160.97364 132.8
[M+CH3COO]- 174.98929 165.9
[M+Na-2H]- 136.95011 119.1
[M]+ 115.97489 119.1
[M]- 115.97599 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.